SCHEMBL5065667

SCHEMBL5065667

Cc1ccc2c(Nc3cc(OCCc4ccc(F)cc4)ccc3Sc3ccc(O)cc3)ncnc2n1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.67
AKT2 P31751 1/20 0.67
KDR P35968 4/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 1/20 0.35
GCK P35557 1/20 0.34
FGFR1 P11362 1/20 0.33
FLT1 P17948 1/20 0.33
EGFR P00533 2/20 0.33
IGF1R P08069 1/20 0.33
FLT4 P35916 1/20 0.33
DYRK1A Q13627 1/20 0.32
BLM P54132 1/20 0.31
TP53 P04637 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL810678 0.93 PIM1 (0.71) PIM1AKT2KDRMEN1MAPT
SCHEMBL4381544 0.93 PIM1 (0.71) PIM1AKT2KDRMEN1MAPT
SCHEMBL5061334 0.92 PIM1 (0.66) PIM1AKT2KDRMEN1MAPT
SCHEMBL5061756 0.90 PIM1 (0.54) PIM1AKT2KDRMEN1MAPT
SCHEMBL5065555 0.87 PIM1 (0.70) PIM1AKT2KDRMEN1MAPT
SCHEMBL5068961 0.87 PIM1 (0.52) PIM1AKT2KDRMEN1MAPT
SCHEMBL810188 0.86 PIM1 (0.73) PIM1AKT2KDRMEN1MAPT
SCHEMBL809927 0.86 PIM1 (0.71) PIM1AKT2KDRMEN1MAPT
SCHEMBL810332 0.86 PIM1 (0.72) PIM1AKT2KDRMEN1MAPT
SCHEMBL810522 0.85 PIM1 (0.77) PIM1AKT2KDRMEN1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP disclosed
WO-2007081517-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-19 WO disclosed